2-[3,4-bis(fluoranyl)phenyl]sulfanyl-N-(4-methyl-2-nitro-phenyl)-2-phenyl-ethanamide

Systemtic Name: 2-[3,4-bis(fluoranyl)phenyl]sulfanyl-N-(4-methyl-2-nitro-phenyl)-2-phenyl-ethanamide Openeye Name: 2-(3,4-difluorophenyl)sulfanyl-N-(4-methyl-2-nitro-phenyl)-2-phenyl-acetamide CAS Name: 2-[(3,4-difluorophenyl)thio]-N-(4-methyl-2-nitrophenyl)-2-phenylacetamide IUPAC Name: 2-(3,4-difluorophenyl)sulfanyl-N-(4-methyl-2-nitrophenyl)-2-phenylacetamide Traditional Name: 2-[(3,4-difluorophenyl)thio]-N-(4-methyl-2-nitro-phenyl)-2-phenyl-acetamide Formula: C21H16F2N2O3S MolecularWeight: 414.425146

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C(C2=CC=CC=C2)SC3=CC(=C(C=C3)F)F)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C(C2=CC=CC=C2)SC3=CC(=C(C=C3)F)F)[N+](=O)[O-]

InChI

InChI=1S/C21H16F2N2O3S/c1-13-7-10-18(19(11-13)25(27)28)24-21(26)20(14-5-3-2-4-6-14)29-15-8-9-16(22)17(23)12-15/h2-12,20H,1H3,(H,24,26)